G877-0095 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide

G877-0095 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide
G877-0095 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G877-0095
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G877-0095

Molecular Formula

C18H19ClF3N3OS (C18 H19 ClF3 N3 OS)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1-cyclohexyl-1H-imidazol-2-yl)sulfanyl]acetamide

SMILES

O=C(CSc1nccn1C1CCCCC1)Nc(cc(C(F)(F)F)cc1)c1Cl

InChI

InChI=1S/C18H19ClF3N3OS/c19-14-7-6-12(18(20,21)22)10-15(14)24-16(26)11-27-17-23-8-9-25(17)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,24,26)

InChI Key

FPFAEQTZXQEGMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-5.18

Polar Surface Area

34.802

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G877-0095 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G877-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G877-0095?
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What is the minimum amount of G877-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G877-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G877-0095
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G877-0095 available by request